Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 5/20 | 0.73 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.73 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.73 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.73 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.73 |
| ▸ | MKNK1 | Q9BUB5 | 4/20 | 0.59 |
| ▸ | MKNK2 | Q9HBH9 | 4/20 | 0.59 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP11B2 | P19099 | 5/20 | 0.51 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.51 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | PPARD | Q03181 | 1/20 | 0.48 |
| ▸ | PPARA | Q07869 | 1/20 | 0.48 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL14129887 | 0.85 | CYP2D6 (1.00) | CYP19A1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL14080906 | 0.85 | CYP19A1 (0.71) | CYP19A1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL4861343 | 0.85 | CYP19A1 (0.71) | CYP19A1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL28046302 | 0.83 | CYP3A4 (0.74) | CYP19A1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL5749788 | 0.83 | CYP19A1 (0.53) | CYP19A1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL12129582 | 0.83 | CYP19A1 (0.69) | CYP19A1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL4228524 | 0.83 | CYP19A1 (0.74) | CYP19A1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL13527207 | 0.82 | CYP2D6 (0.94) | CYP19A1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL238711 | 0.82 | CHRNB2 (0.62) | CYP19A1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL29469522 | 0.82 | CHRNB2 (0.62) | CYP19A1CYP3A4CYP2D6CYP2C9CYP2C19 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1099692-B1 | N,N-SUBSTITUTED CYCLIC AMINE DERIVATIVES | EISAI CO LTD (JP) | 2006-05-03 | — | — | EP | disclosed |
| US-6737425-B1 | SUCH AS 1-((4-CYANO-5-METHYL-4-PHENYL)HEXYL)-4-(2-(4-FLUORO -PHENOXY)ETHYL)PIPERAZINE; NERVE SELECTIVE CALCIUM ANTAGONISTS | EISAI CO., LTD. (JP) | 2004-05-18 | — | — | US | disclosed |
| EP-1099692-A1 | N,N-SUBSTITUTED CYCLIC AMINE DERIVATIVES | Eisai Co., Ltd. (JP) | 2001-05-16 | — | — | EP | disclosed |